SCHEMBL22150047

SCHEMBL22150047

CC(C)(C)OC(=O)N1CC[C@H](CCn2c(N)nc3cc(C(N)=O)ccc32)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 5/20 0.48
▸ GPR119 Q8TDV5 3/20 0.46
▸ RORC P51449 2/20 0.43
▸ JAK3 P52333 8/20 0.41
▸ JAK2 O60674 7/20 0.41
▸ JAK1 P23458 7/20 0.41
▸ TYK2 P29597 7/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PTGER4 P35408 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22121278 0.95 CHEK2 (0.52) CHEK2GPR119RORCJAK3JAK2
SCHEMBL22150565 0.91 CHEK2 (0.48) CHEK2GPR119RORCJAK3JAK2
SCHEMBL22121213 0.87 RORC (0.53) CHEK2GPR119RORCKMT2A
SCHEMBL22135094 0.80 STING1 (0.66) —
SCHEMBL21496906 0.77 P2RX3 (0.48) CHEK2RORCKMT2APTGER4
SCHEMBL22121292 0.76 JAK2 (0.45) JAK3JAK2JAK1TYK2KMT2A
SCHEMBL22857833 0.75 CHEK2 (0.45) CHEK2GPR119
SCHEMBL22150045 0.74 GPR119 (0.46) CHEK2GPR119
SCHEMBL22121609 0.74 JAK2 (0.51) JAK3JAK2JAK1TYK2KMT2A
SCHEMBL21310756 0.73 PDE4B (0.49) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed
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